P937-3939 Screening compound: 4-(5-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine

P937-3939 Screening compound: 4-(5-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
P937-3939 Screening compound: 4-(5-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-3939
4-(5-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P937-3939

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

4-(5-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine

IUPAC name

4-(5-{[1-(23-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]methyl}-4H-124-triazol-3-yl)pyridine

SMILES

O=S(c1cc(CCC2)c2cc1)(N1CC(Cc2nnc(-c3ccncc3)[nH]2)CC1)=O

InChI

InChI=1S/C21H23N5O2S/c27-29(28,19-5-4-16-2-1-3-18(16)13-19)26-11-8-15(14-26)12-20-23-21(25-24-20)17-6-9-22-10-7-17/h4-7,9-10,13,15H,1-3,8,11-12,14H2,(H,23,24,25)/t15-/m0/s1

InChI Key

LNKRJUYKWNLIOX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30466341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.38

Polar Surface Area

76.467

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

P937-3939 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P937-3939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-3939?
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What is the minimum amount of P937-3939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-3939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-3939
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P937-3939 available by request